D038-0543 Screening compound: 2-[2-(5-ethyl-1-benzofuran-3-yl)acetamido]-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

D038-0543 Screening compound: 2-[2-(5-ethyl-1-benzofuran-3-yl)acetamido]-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
D038-0543 Screening compound: 2-[2-(5-ethyl-1-benzofuran-3-yl)acetamido]-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-0543
2-[2-(5-ethyl-1-benzofuran-3-yl)acetamido]-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D038-0543

Molecular Formula

C24H28N2O4S (C24 H28 N2 O4 S)

Compound Name

2-[2-(5-ethyl-1-benzofuran-3-yl)acetamido]-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-[2-(5-ethyl-1-benzofuran-3-yl)acetamido]-N-(2-methoxyethyl)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CCc(cc1)cc2c1occ2CC(Nc1c(C(NCCOC)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C24H28N2O4S/c1-3-15-8-9-19-18(12-15)16(14-30-19)13-21(27)26-24-22(23(28)25-10-11-29-2)17-6-4-5-7-20(17)31-24/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H,25,28)(H,26,27)

InChI Key

ACVNFTUFKJEUFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.230

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-4.43

Polar Surface Area

65.260

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D038-0543 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D038-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-0543?
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What is the minimum amount of D038-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-0543
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D038-0543 available by request